Vitas-M small molecule compound

4-{[(3-phenylprop-2-yn-1-yl)amino]methyl}benzoic acid

Catalog ID
STK728728
SMILES OC(=O)c1ccc(cc1)CNCC#Cc1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C17H15NO2 MW 265.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15NO2/c19-17(20)16-10-8-15(9-11-16)13-18-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,18H,12-13H2,(H,19,20)
InChIKey
CLGYJSNESJCQTI-UHFFFAOYSA-N
Synonyms

4(((3PHENYL2PROPYNYL)AMINO)METHYL)BENZOICACID
4(((3phenylprop2yn1yl)amino)methyl)benzoicacid
4((3PHENYLPROP2YNYLAMINO)METHYL)BENZOICACID
4((3PHENYLPROP2YNYLAZANIUMYL)METHYL)BENZOATE
C1=CC=C(C=C1)C#CCNCC2=CC=C(C=C2)C(=O)O
InChI=1SC17H15NO2c1917(20)1610815(91116)13181247145213614h135681118H1213H2(H1920)
MFCD06780846
ZINC000005321858
ZINC05321858
ZINC5321858

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.